Jan C. Brammer JanCBrammer

## molfile_permutation.ipynb

      
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## pubchem.py
"""Download gzipped SDF files from ftp.ncbi.nlm.nih.gov/pubchem/.

https://openbook.rheinwerk-verlag.de/python/34_003.html
https://docs.python.org/3/library/ftplib.html
https://pubchem.ncbi.nlm.nih.gov/docs/downloads#section=From-the-PubChem-FTP-Site
"""

from ftplib import FTP
from ftplib import all_errors as FTPException
import hashlib

## .devcontainer.json
// https://containers.dev/implementors/json_reference/
// https://hub.docker.com/_/microsoft-vscode-devcontainers
{
    "name": "",
    "image": "mcr.microsoft.com/devcontainers/python:3.12",
    "customizations": {
        "vscode": {
            "extensions": [
                "ms-python.python",
                "ms-python.vscode-pylance",
	"""Download gzipped SDF files from ftp.ncbi.nlm.nih.gov/pubchem/.

	https://openbook.rheinwerk-verlag.de/python/34_003.html
	https://docs.python.org/3/library/ftplib.html
	https://pubchem.ncbi.nlm.nih.gov/docs/downloads#section=From-the-PubChem-FTP-Site
	"""

	from ftplib import FTP
	from ftplib import all_errors as FTPException
	import hashlib
	// https://containers.dev/implementors/json_reference/
	// https://hub.docker.com/_/microsoft-vscode-devcontainers
	{
	"name": "",
	"image": "mcr.microsoft.com/devcontainers/python:3.12",
	"customizations": {
	"vscode": {
	"extensions": [
	"ms-python.python",
	"ms-python.vscode-pylance",